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Substance Name: Daunomycin 4-phenylbenzoylhydrazone monohydrochloride
RN: 66996-51-8
InChIKey: HXGOMIWIDNPPPN-LCZJMEFLSA-N

Molecular Formula

  • C40-H39-N3-O10.Cl-H

Molecular Weight

  • 758.22
 
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Names and Synonyms

Results Name

  • Daunomycin 4-phenylbenzoylhydrazone monohydrochloride

Synonyms

  • Daunomycin 4-phenylbenzoylhydrazone HCl
  • Daunomycin 4-phenylbenzoylhydrazone monohydrochloride

Systematic Name

  • (1,1'-Biphenyl)-4-carboxylic acid, (1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide, monohydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 66996-51-8

System Generated Number

  • 0066996518

Molecular Formulas

Molecular Formula

  • C40-H39-N3-O10.Cl-H

Molecular Formula Fragments

  • C40-H39-N3-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C40H39N3O10.ClH/c1-19-34(44)26(41)16-29(52-19)53-28-18-40(50,20(2)42-43-39(49)23-14-12-22(13-15-23)21-8-5-4-6-9-21)17-25-31(28)38(48)33-32(36(25)46)35(45)24-10-7-11-27(51-3)30(24)37(33)47;/h4-15,19,26,28-29,34,44,46,48,50H,16-18,41H2,1-3H3,(H,43,49);1H/b42-20+;

InChIKey

HXGOMIWIDNPPPN-LCZJMEFLSA-N

Smiles

Cl.c1(ccccc1)c1ccc(cc1)C(N\N=C(\[C@@]1(C[C@@H](c2c(c3C(c4c(OC)cccc4C(c3c(c2C1)O)=O)=O)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](C1)N)O)C)=O